[Smeagol-discuss] A question on hslk subroutine

[lan haiping]

Dear All:

  I just explored some subroutines of smeagol package, and have a question
on hslk subroutine which handles on Leads'
hamiltonian and overlap matrices .
  I wonder about the manipulation on sparse form matrices to normal forms in
hslk subroutine. In this subroutine  kxij is expressed
as
             *kxij = kpoint(1)*xij(1,ind) +
     .             kpoint(2)*xij(2,ind)
C     .            + kpoint(3)*xij(3,ind)*
  I donot know why we do comment out 3rd component of <k,xij> , while kxij
in diagon subroutine is just the sum of these three components . Would
anyone explain the difference ?

Best

-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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